Vitas-M small molecule compound

5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK588237
SMILES Clc1ccc(cc1)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H12ClN3O2S MW 345.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O2S/c17-11-3-1-10(2-4-11)15-18-19-16(23)20(15)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9H,7-8H2,(H,19,23)
InChIKey
AFSDHMBEJDMIIF-UHFFFAOYSA-N
Synonyms
878420-86-1
3(4CHLOROPHENYL)4(23DIHYDRO14BENZODIOXIN6YL)1H124TRIAZOLE5THIONE
5(4chlorophenyl)4(23dihydro14benzodioxin6yl)24dihydro3H124triazole3thione
5(4CHLOROPHENYL)4(23DIHYDROBENZO(14)DIOXIN6YL)4H(124)TRIAZOLE3THIOL
878420861
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)c1n(nH)c(=S)n1c1ccc2c(c1)OCCO2
InChI=1SC16H12ClN3O2Sc17113110(2411)15181916(23)20(15)12561314(912)22872113h169H78H2(H1923)
MFCD07208485
ZINC000005903930
ZINC5903930

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Available files

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